CAS No.14091-12-4,3-CHLORO-DL-PHENYLALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14091-12-4
Name:	3-CHLORO-DL-PHENYLALANINE

Formula:	C₉H₁₀ClNO₂
Molecular Weight:	199.63
Synonyms:	m-Chloro-DL-phenylalanine;
EINECS:	237-940-8
Density:	1.336 g/cm³
Boiling Point:	339.532 °C at 760 mmHg
Flash Point:	159.143 °C
Appearance:	White lens powder
PSA:	63.32000
LogP:	2.07870

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Specification

This chemical is called Phenylalanine,3-chloro-, and its systematic name is 3-chlorophenylalanine. With the molecular formula of C₉H₁₀ClNO₂, its molecular weight is 199.63. The CAS registry number of this chemical is 14091-12-4.

Other characteristics of the Phenylalanine,3-chloro- can be summarised as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 50.38 cm³; (15)Molar Volume: 149.3 cm³; (16)Polarizability: 19.97×10^-24cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 159.1 °C; (20)Enthalpy of Vaporization: 61.53 kJ/mol; (21)Boiling Point: 339.5 °C at 760 mmHg; (22)Vapour Pressure: 3.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(ccc1)CC(C(=O)O)N
2.InChI: InChI=1/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
3.InChIKey: JJDJLFDGCUYZMN-UHFFFAOYAK